טוען...

Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples

[Image: see text] We investigated how many cases of the same chemical sold as different products (at possibly different prices) occurred in a prototypical large aggregated database and simultaneously tested the tautomerism definitions in the chemoinformatics toolkit CACTVS. We applied the standard C...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
הוצא לאור ב:J Chem Inf Model
Main Authors: Guasch, Laura, Yapamudiyansel, Waruna, Peach, Megan L., Kelley, James A., Barchi, Joseph J., Nicklaus, Marc C.
פורמט: Artigo
שפה:Inglês
יצא לאור: American Chemical Society 2016
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC5129033/
https://ncbi.nlm.nih.gov/pubmed/27669079
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00338
תגים: הוספת תג
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!